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Substance Name: Antibiotic tan-592B
RN: 99685-75-3
InChIKey: FQWMHKOCOXEZJI-FROSJRLKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H46-N10-O14-S.Cl-H

Molecular Weight

  • 827.2653
 
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Names and Synonyms

Results Name

  • Antibiotic tan-592B

Synonyms

  • Antibiotic tan-592B
  • Cephabacin F5 hydrochloride
  • TAN-592B

Systematic Name

  • L-Serinamide, L-seryl-N-(4-((7-((5-amino-5-carboxy-1-oxopentyl)amino)-2-carboxy-7-(fromylamino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methoxy)-1-(3-((aminoiminiumethyl)amino)propyl)-2-hydroxy-4-oxobutyl)-, monohydrochloride, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-

Registry Numbers

CAS Registry Number

  • 99685-75-3

System Generated Number

  • 0099685753

Molecular Formulas

Molecular Formula

  • C29-H46-N10-O14-S.Cl-H

Molecular Formula Fragments

  • C29-H46-N10-O14-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H46N10O14S.ClH/c30-13(24(48)49)3-1-5-17(43)38-29(36-11-41)26(52)39-20(25(50)51)12(10-54-27(29)39)9-53-18(44)7-16(42)15(4-2-6-35-28(33)34)37-19(23(32)47)22(46)21(45)14(31)8-40;/h11,13-16,19,22,27,37,40,42,46H,1-10,30-31H2,(H2,32,47)(H,36,41)(H,38,43)(H,48,49)(H,50,51)(H4,33,34,35);1H/t13?,14-,15-,16?,19+,22+,27+,29-;/m0./s1

InChIKey

FQWMHKOCOXEZJI-FROSJRLKSA-N

Smiles

C1C(=C(N2[C@H](S1)[C@@](C2=O)(NC=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)COC(=O)CC([C@H](CCCNC(=N)N)N[C@H]([C@H](C(=O)[C@H](CO)N)O)C(=O)N)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 85-178, 1985.